4-(7-bromanyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(7-bromanyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-bromo-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-bromo-2-(3-pyridinyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-(7-bromo-2-pyridin-3-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-bromo-2-(3-pyridyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C21H18BrN5 MolecularWeight: 420.30512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Br

InChI

InChI=1S/C21H18BrN5/c1-27(2)17-8-5-14(6-9-17)20-18-12-16(22)7-10-19(18)24-21(26-25-20)15-4-3-11-23-13-15/h3-13,25H,1-2H3